LaN
lanthanum nitride · lanthanum mononitride
Lanthanum nitride is a stable, semiconducting binary compound formed from lanthanum and nitrogen.
About lanthanum nitride
Lanthanum nitride is a binary compound consisting of lanthanum and nitrogen. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, supported by extensive structural data across multiple research databases. Its semiconducting electronic character makes it an intriguing candidate for specialized solid-state applications. The material is primarily studied for its physical properties and its role in the broader landscape of rare-earth nitrides. Its stability ensures it remains a point of interest for researchers investigating the intersection of lanthanide chemistry and semiconductor physics.
Key Properties
Cross-validated computational properties for lanthanum nitride, aggregated across 6 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaN. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LaN, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -21.012 | 6.82 |
| P63mc (No. 186) | hexagonal | 1.12 | 0.0164 | -20.996 | 5.79 |
| P4/nmm (No. 129) | tetragonal | 1.72 | 0.1167 | -20.895 | 6.80 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5952 | -20.417 | 7.97 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 6.80 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.48 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.86 |
| P1 (No. 1) | Triclinic | — | — | — | 6.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.68 |
| P1 (No. 1) | Triclinic | — | — | — | 5.59 |
Applications
Where lanthanum nitride is used.
Frequently Asked Questions
Common questions about lanthanum nitride, answered from cross-validated data.
What is LaN?
Lanthanum nitride is a stable, semiconducting binary compound formed from lanthanum and nitrogen.
What is LaN used for?
What is the band gap of LaN?
Is LaN a metal, semiconductor, or insulator?
Is LaN thermodynamically stable?
What is the crystal structure of LaN?
What is the density of LaN?
How many polymorphs of LaN are known?
What elements does LaN contain?
Where does the data for LaN come from?
How It Compares
As a stable binary nitride, lanthanum nitride serves as a fundamental reference point for understanding the structural and electronic behavior of rare-earth pnictides. It occupies a distinct role in this class by providing a well-defined, stable platform for exploring how lanthanide cations influence the semiconducting properties of nitride-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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